SCHEMBL2196904

SCHEMBL2196904

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Cl)cccn23)n1)c1ccc(CC2CCN(CCS(C)(=O)=O)C(O)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.36
PLK1 P53350 3/20 0.34
KCNH2 Q12809 1/20 0.33
CDK2 P24941 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CCND3 P30281 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK6 Q00534 1/20 0.32
IDH1 O75874 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2196907 0.82 IGF1R (0.38) IGF1RPLK1KCNH2CDK2CCNT1
SCHEMBL2199550 0.81 PLK1 (0.35) IGF1RPLK1CDK2CDK1IDH1
SCHEMBL2197869 0.81 PLK1 (0.35) IGF1RPLK1CDK2CDK1IDH1
SCHEMBL2197909 0.80 PLK1 (0.37) IGF1RPLK1CDK2IDH1
SCHEMBL2199282 0.76 IGF1R (0.39) IGF1RPLK1CDK2CCNT1CDK1
SCHEMBL3550094 0.76 PLK1 (0.39) IGF1RPLK1CDK2IDH1
SCHEMBL3551627 0.75 PLK1 (0.46) IGF1RPLK1CDK1IDH1
SCHEMBL2228345 0.75 IGF1R (0.39) IGF1RPLK1KCNH2CDK2IDH1
SCHEMBL3554854 0.75 PLK1 (0.36) IGF1RPLK1CDK2CDK1IDH1
SCHEMBL3559021 0.75 IGF1R (0.39) IGF1RPLK1CDK2CCNT1CDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 IGF1R 812/4885PLK1 1/4885KCNH2 1742/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.